diff --git a/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp b/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp index 873087bf05..cb1c02f5cd 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp @@ -351,8 +351,8 @@ void Gint_k::cal_dvlocal_R_sparseMatrix(const int& current_spin, const int it2 = ucell.iat2it[iat2]; const Atom* atom1 = &ucell.atoms[it1]; const Atom* atom2 = &ucell.atoms[it2]; - const int start1 = ucell.itia2iat(it1, ucell.iat2ia[iat1], 0); - const int start2 = ucell.itia2iat(it2, ucell.iat2ia[iat2], 0); + const int start1 = ucell.itiaiw2iwt(it1, ucell.iat2ia[iat1], 0); + const int start2 = ucell.itiaiw2iwt(it2, ucell.iat2ia[iat2], 0); for (int ir = 0; ir < ap.get_R_size(); ir++) {